CID 1103958

314054-00-7

Structural Information

Molecular Formula
C11H7IN2O4
SMILES
C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])I
InChI
InChI=1S/C11H7IN2O4/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKey
JBIKQXOZLBLMKI-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

32
Patents

357.94504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.95232 171.8
[M+Na]+ 380.93426 171.3
[M-H]- 356.93776 172.3
[M+NH4]+ 375.97886 182.8
[M+K]+ 396.90820 171.8
[M+H-H2O]+ 340.94230 165.1
[M+HCOO]- 402.94324 192.5
[M+CH3COO]- 416.95889 195.7
[M+Na-2H]- 378.91971 165.6
[M]+ 357.94449 168.4
[M]- 357.94559 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe